http://arxiv.org/abs/1703.05931
Interstellar ubiquitous infrared spectrum (IR) due to polycyclic aromatic hydrocarbon (PAH) was observed in many astronomical dust clouds. A capable astronomical chemical evolution path from graphene to PAH was studied based on the first principles calculation. Step 1 is a nucleation of nano-carbon after supernova by super-cooling at expanding helium sphere. As a typical model, graphene molecule (C )24 having coronene skeleton with seven carbon hexagons was tried.Step 2 is a proton sputtering and passivation on ejected graphene molecule. Slow speed proton with energy less than 4.3eV makes hydrogenation, Graphene molecule (C )24 was transformed to PAH (C24H12). Higher speed proton having sufficient energy larger than 18.3 eV could make a void in a molecule as like C23H12. Resulted structure was a combination of two carbon pentagons and five hexagons. Step 3 is photo-ionization of those molecules by high energy photon. Electrons are removed to make a molecule to cation. Model molecule (C23H12) became mono-cation (C23H12)+, di-cation (C23H12)2+ and so on. Typical energy difference between such cation was 6.5 and 10.8 eV. If the light source has a nature of black-body radiation, effective temperature will be 18000K ~ 24000K, which suggested that central light source star may have 4 to 7 times heavier than our sun. Finally, theoretical IR spectrum was obtained. Especially in case of (C23H12)2+, calculated emission spectrum revealed that among 13 major peaks, 11 peaks could correlate with ubiquitous observed IR one.
N. Ota
Mon, 20 Mar 2017
35/47
Comments: 10 pages, 9 figures